5-[[(2S)-pyrrolidin-2-yl]methyl]-2H-tetrazole

C6H11N5 — CID 11194439

IUPAC5-[[(2S)-pyrrolidin-2-yl]methyl]-2H-tetrazole
SMILESC1CN[C@H](Cc2nn[nH]n2)C1
InChIInChI=1S/C6H11N5/c1-2-5(7-3-1)4-6-8-10-11-9-6/h5,7H,1-4H2,(H,8,9,10,11)/t5-/m0/s1
InChIKeyJTQJCMXMBWLKCI-YFKPBYRVSA-N
MW153.19 g/mol
LogP-0.51
Rot. Bonds2

About 5-[[(2S)-pyrrolidin-2-yl]methyl]-2H-tetrazole

5-[[(2S)-pyrrolidin-2-yl]methyl]-2H-tetrazole (PubChem CID 11194439) has the molecular formula C6H11N5 and a molecular weight of 153.19 g/mol. Its IUPAC name is 5-[[(2S)-pyrrolidin-2-yl]methyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[[(2S)-pyrrolidin-2-yl]methyl]-2H-tetrazole
PubChem CID11194439
Molecular FormulaC6H11N5
Molecular Weight153.19 g/mol
Exact Mass153.10
IUPAC Name5-[[(2S)-pyrrolidin-2-yl]methyl]-2H-tetrazole
SMILESC1CN[C@H](Cc2nn[nH]n2)C1
InChIInChI=1S/C6H11N5/c1-2-5(7-3-1)4-6-8-10-11-9-6/h5,7H,1-4H2,(H,8,9,10,11)/t5-/m0/s1
InChIKeyJTQJCMXMBWLKCI-YFKPBYRVSA-N
XLogP-0.51
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(Pyrrolidin-2-yl)tetrazole
CID 10261161
(S)-(-)-5-(2-Pyrrolidinyl)-1H-tetrazole
CID 11275040
5-((2R)-pyrrolidin-2-yl)-1H-1,2,3,4-tetrazole
CID 11457736
5-(pyrrolidin-3-yl)-2H-1,2,3,4-tetrazole hydrochloride
CID 91663866
5-(pyrrolidin-2-yl)-1H-1,2,3,4-tetrazole hydrochloride
CID 42962676
5-((2R)-Pyrrolidin-2-yl)-2H-1,2,3,4-tetrazole hydrochloride
CID 118998398
5-((pyrrolidin-3-yl)methyl)-1H-1,2,3,4-tetrazole hydrochloride
CID 132346296
5-(Pyrrolidin-3-yl)-2H-tetrazole
CID 22181536
5-[(2S)-4,4-difluoropyrrolidin-2-yl]-2H-tetrazole
CID 89827180
5-(4,4-difluoropyrrolidin-2-yl)-2H-tetrazole
CID 89827182
5-(1-cyclopentyl-5-fluoropyrazolidin-3-yl)-2H-tetrazole
CID 141111944
5-[[(2S)-pyrrolidin-2-yl]methyl]-1H-tetrazole
CID 53421238

Frequently Asked Questions

What is the IUPAC name of 5-[[(2S)-pyrrolidin-2-yl]methyl]-2H-tetrazole?
The IUPAC name of 5-[[(2S)-pyrrolidin-2-yl]methyl]-2H-tetrazole (CID 11194439) is 5-[[(2S)-pyrrolidin-2-yl]methyl]-2H-tetrazole.
What is the SMILES notation for 5-[[(2S)-pyrrolidin-2-yl]methyl]-2H-tetrazole?
The canonical SMILES for 5-[[(2S)-pyrrolidin-2-yl]methyl]-2H-tetrazole is C1CN[C@H](Cc2nn[nH]n2)C1.
What is the InChIKey of 5-[[(2S)-pyrrolidin-2-yl]methyl]-2H-tetrazole?
The InChIKey is JTQJCMXMBWLKCI-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H11N5/c1-2-5(7-3-1)4-6-8-10-11-9-6/h5,7H,1-4H2,(H,8,9,10,11)/t5-/m0/s1.
What are the key properties of 5-[[(2S)-pyrrolidin-2-yl]methyl]-2H-tetrazole?
5-[[(2S)-pyrrolidin-2-yl]methyl]-2H-tetrazole has a molecular weight of 153.19 g/mol, XLogP of -0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2S)-pyrrolidin-2-yl]methyl]-2H-tetrazole is sourced from PubChem (CID 11194439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).